Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSVRDIALEALIKL-EQNQAYSNLLLKSVIKSNELSDQNRGLLTELVYGTLQNKIALDYMLKPFINKPQKVKPWVIQ-LLRLSLYQMEYLEKIPDRAAIHEAVEIAKIRGHKGIASFVNGVLRSIQR---EGVPSFDAIEDPVRRLATETSHPEWLVKEWADAYGFEAAEKICRIHLIPPKQTLRVNQMKADRAELLDQMAAEGIEVEKGDLAEDAVKLLKGTIAGTHF---FQNGEVSIQDESSMLVARALDPKSDETVLDACAAPGGKSAHIAELMKNKGSVTSLDLHKHKVKLIKEAADRLGLTIIHAETMDARKAGETFENEQFDRILVDAPCSGFGVIRRKPDMKYTKKPDDSARLAEIQLSILREIAPLVKKGGTLVYSTCTMDRTENDEVIHAFIQEHPDFEPDLSLEKRLPEKVRPFVRDGRLQILPHYFGTDGFFICSMRKKG 1SQF Chain:A ((5-429)) ---RNLRSMAAQAVEQVVEQGQSLSNILPPL---QQKVSDKDKALLQELCFGVLRTLSQLDWLINKLMARPMTGKQRTVHYLIMVGLYQLLY-TRIPPHAALAETVEGAIAIKRPQLKGLINGVLRQFQRQQEELLAEFNASD--ARYL-----HPSWLLKRLQKAYP-EQWQSIVEANNQRPPMWLRINRTHHSRDSWLALLDEAGMKGFPHADYPDAVRL--ETPAPVHALPGFEDGWVTVQDASAQGCMTWLAPQNGEHILDLCAAPGGKTTHILEVAP-EAQVVAVDIDEQRLSRVYDNLKRLGMKAT-VKQGDGRYPSQWCGEQQFDRILLDAPCSATGVIRRHPDIKWLRRDRDIPELAQLQSEILDAIWPHLKTGGTLVYATCSVLPEENSLQIKAFLQRTADAE---LCETGTPEQ------PGK-QNLPGAEEGDGFFYAKLIKK-

General information: TITO was launched using: RESULT: Template: 1SQF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2262 -160899 -71.13 -385.85 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -71.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_1SQF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQF-query.scw PDB file : Tito_Scwrl_1SQF.pdb: